4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide

C23H32N4O3 — CID 86879979

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide
SMILESCc1cccc(C(C)(C)CNC(=O)N2CCN(C(=O)Cc3c(C)noc3C)CC2)c1
InChIInChI=1S/C23H32N4O3/c1-16-7-6-8-19(13-16)23(4,5)15-24-22(29)27-11-9-26(10-12-27)21(28)14-20-17(2)25-30-18(20)3/h6-8,13H,9-12,14-15H2,1-5H3,(H,24,29)
InChIKeyBGGUSPQQDPSVMY-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.97
Rot. Bonds5

About 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide (PubChem CID 86879979) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide
PubChem CID86879979
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide
SMILESCc1cccc(C(C)(C)CNC(=O)N2CCN(C(=O)Cc3c(C)noc3C)CC2)c1
InChIInChI=1S/C23H32N4O3/c1-16-7-6-8-19(13-16)23(4,5)15-24-22(29)27-11-9-26(10-12-27)21(28)14-20-17(2)25-30-18(20)3/h6-8,13H,9-12,14-15H2,1-5H3,(H,24,29)
InChIKeyBGGUSPQQDPSVMY-UHFFFAOYSA-N
XLogP2.97
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide with MolForge

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Related Compounds

1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide
CID 86879890
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone
CID 146086674
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide
CID 146122605
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
N-[3-(benzimidazol-1-yl)propyl]-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carboxamide
CID 86879784
4-(4-tert-butylphenoxy)-1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]butan-1-one
CID 86877441
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
CID 86874062
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114163
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
CID 86904681
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]ethanone
CID 56819074

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide (CID 86879979) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide is Cc1cccc(C(C)(C)CNC(=O)N2CCN(C(=O)Cc3c(C)noc3C)CC2)c1.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide?
The InChIKey is BGGUSPQQDPSVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-16-7-6-8-19(13-16)23(4,5)15-24-22(29)27-11-9-26(10-12-27)21(28)14-20-17(2)25-30-18(20)3/h6-8,13H,9-12,14-15H2,1-5H3,(H,24,29).
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 86879979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).